(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone

C12H8BrFO3 — CID 81304337

IUPAC(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2occc2Br)c(F)c1
InChIInChI=1S/C12H8BrFO3/c1-16-7-2-3-8(10(14)6-7)11(15)12-9(13)4-5-17-12/h2-6H,1H3
InChIKeyJEFAKMUZSOPBSN-UHFFFAOYSA-N
MW299.10 g/mol
LogP3.42
Rot. Bonds3

About (3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone

(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 81304337) has the molecular formula C12H8BrFO3 and a molecular weight of 299.10 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID81304337
Molecular FormulaC12H8BrFO3
Molecular Weight299.10 g/mol
Exact Mass297.96
IUPAC Name(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2occc2Br)c(F)c1
InChIInChI=1S/C12H8BrFO3/c1-16-7-2-3-8(10(14)6-7)11(15)12-9(13)4-5-17-12/h2-6H,1H3
InChIKeyJEFAKMUZSOPBSN-UHFFFAOYSA-N
XLogP3.42
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882279
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565
(4,5-dibromothiophen-2-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 80536273
(3-bromofuran-2-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114973441
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone
CID 63942621
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone (CID 81304337) is (3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2occc2Br)c(F)c1.
What is the InChIKey of (3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is JEFAKMUZSOPBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFO3/c1-16-7-2-3-8(10(14)6-7)11(15)12-9(13)4-5-17-12/h2-6H,1H3.
What are the key properties of (3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone?
(3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 299.10 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 81304337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).